1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone

C26H34N4O — CID 131647651

IUPAC1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1
InChIInChI=1S/C26H34N4O/c1-28-14-16-30(17-15-28)25(31)18-21-19-26(24-8-3-2-7-23(21)24)9-12-29(13-10-26)20-22-6-4-5-11-27-22/h2-8,11,21H,9-10,12-20H2,1H3
InChIKeyMIIXEGRINMIQGT-UHFFFAOYSA-N
MW418.59 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone (PubChem CID 131647651) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
PubChem CID131647651
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1
InChIInChI=1S/C26H34N4O/c1-28-14-16-30(17-15-28)25(31)18-21-19-26(24-8-3-2-7-23(21)24)9-12-29(13-10-26)20-22-6-4-5-11-27-22/h2-8,11,21H,9-10,12-20H2,1H3
InChIKeyMIIXEGRINMIQGT-UHFFFAOYSA-N
XLogP3.27
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-[(1S)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97375942
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131655232
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376046
2-[(1R)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376049
N-cyclopropyl-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662516
2-[(1S)-1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376058
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375807
3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376072
1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376073
2-[1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155829126

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone (CID 131647651) is 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone is CN1CCN(C(=O)CC2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is MIIXEGRINMIQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-28-14-16-30(17-15-28)25(31)18-21-19-26(24-8-3-2-7-23(21)24)9-12-29(13-10-26)20-22-6-4-5-11-27-22/h2-8,11,21H,9-10,12-20H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 418.59 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 131647651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).